2-[2-[2,3-bis(fluoranyl)-4-pentoxy-phenyl]ethynyl]-5-heptyl-pyridine

Systemtic Name: 2-[2-[2,3-bis(fluoranyl)-4-pentoxy-phenyl]ethynyl]-5-heptyl-pyridine Openeye Name: 2-[2-(2,3-difluoro-4-pentoxy-phenyl)ethynyl]-5-heptyl-pyridine CAS Name: 2-[2-(2,3-difluoro-4-pentoxyphenyl)ethynyl]-5-heptylpyridine IUPAC Name: 2-[2-(2,3-difluoro-4-pentoxyphenyl)ethynyl]-5-heptylpyridine Traditional Name: 2-[2-(4-amoxy-2,3-difluoro-phenyl)ethynyl]-5-heptyl-pyridine Formula: C25H31F2NO MolecularWeight: 399.516546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C#CC2=C(C(=C(C=C2)OCCCCC)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C#CC2=C(C(=C(C=C2)OCCCCC)F)F

InChI

InChI=1S/C25H31F2NO/c1-3-5-7-8-9-11-20-12-15-22(28-19-20)16-13-21-14-17-23(25(27)24(21)26)29-18-10-6-4-2/h12,14-15,17,19H,3-11,18H2,1-2H3